Geometry & MOs

Info

ID:	206767
PubChem CID:	80297693
Reduced:	FON2C14H21 (1)
Stoich.:	ABC2D14E21 (1)
Weight, g/mol:	219.137162
ΔH_f, kcal/mol:	-96.55
Dipole, Da:	4.69
IP(EA), eV:	-9.3(0.07)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-[(2-ethyl-4-hydroxybutyl)amino]pyridine-2-carbonitrile

Drug info:

PubChemData

Smile

CCCNCC(=O)NC(C)C1=CC(=C(C=C1)C)F

DOS

IR

Vibrations